carbanide;ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;ethyl 2-[(6-amino-2-methylsulfanyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;bis(ethyl 2-[(6-amino-2-methylsulfonyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);methane;tungsten;uranium;bis(vanadium)

C84H122N28O25S3UV2W-4 — CID 159457023

IUPACcarbanide;ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;ethyl 2-[(6-amino-2-methylsulfanyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;bis(ethyl 2-[(6-amino-2-methylsulfonyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);methane;tungsten;uranium;bis(vanadium)
SMILESC.CCCCOc1nc(N)c([N+](=O)[O-])c(N(CC(=O)OCC)Cc2ccnc(N3CCOCC3)c2)n1.CCOC(=O)CN(Cc1ccnc(N2CCOCC2)c1)c1nc(S(C)(=O)=O)nc(N)c1[N+](=O)[O-].CCOC(=O)CN(Cc1ccnc(N2CCOCC2)c1)c1nc(S(C)(=O)=O)nc(N)c1[N+](=O)[O-].CCOC(=O)CN(Cc1ccnc(N2CCOCC2)c1)c1nc(SC)nc(N)c1[N+](=O)[O-].[CH3-].[CH3-].[CH3-].[CH3-].[U].[V].[V].[W]
InChIInChI=1S/C22H31N7O6.2C19H25N7O7S.C19H25N7O5S.CH4.4CH3.U.2V.W/c1-3-5-10-35-22-25-20(23)19(29(31)32)21(26-22)28(15-18(30)34-4-2)14-16-6-7-24-17(13-16)27-8-11-33-12-9-27;2*1-3-33-15(27)12-25(11-13-4-5-21-14(10-13)24-6-8-32-9-7-24)18-16(26(28)29)17(20)22-19(23-18)34(2,30)31;1-3-31-15(27)12-25(18-16(26(28)29)17(20)22-19(23-18)32-2)11-13-4-5-21-14(10-13)24-6-8-30-9-7-24;;;;;;;;;/h6-7,13H,3-5,8-12,14-15H2,1-2H3,(H2,23,25,26);2*4-5,10H,3,6-9,11-12H2,1-2H3,(H2,20,22,23);4-5,10H,3,6-9,11-12H2,1-2H3,(H2,20,22,23);1H4;4*1H3;;;;/q;;;;;4*-1;;;;
InChIKeyZCNLALBEDAXDIV-UHFFFAOYSA-N
MW2544.03 g/mol
LogP6.21
Rot. Bonds39

About carbanide;ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;ethyl 2-[(6-amino-2-methylsulfanyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;bis(ethyl 2-[(6-amino-2-methylsulfonyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);methane;tungsten;uranium;bis(vanadium)

carbanide;ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;ethyl 2-[(6-amino-2-methylsulfanyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;bis(ethyl 2-[(6-amino-2-methylsulfonyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);methane;tungsten;uranium;bis(vanadium) (PubChem CID 159457023) has the molecular formula C84H122N28O25S3UV2W-4 and a molecular weight of 2544.03 g/mol. Its IUPAC name is carbanide;ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;ethyl 2-[(6-amino-2-methylsulfanyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;bis(ethyl 2-[(6-amino-2-methylsulfonyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);methane;tungsten;uranium;bis(vanadium).

Molecular Properties

Compound Namecarbanide;ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;ethyl 2-[(6-amino-2-methylsulfanyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;bis(ethyl 2-[(6-amino-2-methylsulfonyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);methane;tungsten;uranium;bis(vanadium)
PubChem CID159457023
Molecular FormulaC84H122N28O25S3UV2W-4
Molecular Weight2544.03 g/mol
Exact Mass2542.72
IUPAC Namecarbanide;ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;ethyl 2-[(6-amino-2-methylsulfanyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;bis(ethyl 2-[(6-amino-2-methylsulfonyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);methane;tungsten;uranium;bis(vanadium)
SMILESC.CCCCOc1nc(N)c([N+](=O)[O-])c(N(CC(=O)OCC)Cc2ccnc(N3CCOCC3)c2)n1.CCOC(=O)CN(Cc1ccnc(N2CCOCC2)c1)c1nc(S(C)(=O)=O)nc(N)c1[N+](=O)[O-].CCOC(=O)CN(Cc1ccnc(N2CCOCC2)c1)c1nc(S(C)(=O)=O)nc(N)c1[N+](=O)[O-].CCOC(=O)CN(Cc1ccnc(N2CCOCC2)c1)c1nc(SC)nc(N)c1[N+](=O)[O-].[CH3-].[CH3-].[CH3-].[CH3-].[U].[V].[V].[W]
InChIInChI=1S/C22H31N7O6.2C19H25N7O7S.C19H25N7O5S.CH4.4CH3.U.2V.W/c1-3-5-10-35-22-25-20(23)19(29(31)32)21(26-22)28(15-18(30)34-4-2)14-16-6-7-24-17(13-16)27-8-11-33-12-9-27;2*1-3-33-15(27)12-25(11-13-4-5-21-14(10-13)24-6-8-32-9-7-24)18-16(26(28)29)17(20)22-19(23-18)34(2,30)31;1-3-31-15(27)12-25(18-16(26(28)29)17(20)22-19(23-18)32-2)11-13-4-5-21-14(10-13)24-6-8-30-9-7-24;;;;;;;;;/h6-7,13H,3-5,8-12,14-15H2,1-2H3,(H2,23,25,26);2*4-5,10H,3,6-9,11-12H2,1-2H3,(H2,20,22,23);4-5,10H,3,6-9,11-12H2,1-2H3,(H2,20,22,23);1H4;4*1H3;;;;/q;;;;;4*-1;;;;
InChIKeyZCNLALBEDAXDIV-UHFFFAOYSA-N
XLogP6.21
TPSA676.87 Ų
H-Bond Donors4
H-Bond Acceptors50
Rotatable Bonds39
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002544.03
LogP ≤ 56.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze carbanide;ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;ethyl 2-[(6-amino-2-methylsulfanyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;bis(ethyl 2-[(6-amino-2-methylsulfonyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);methane;tungsten;uranium;bis(vanadium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbanide;ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;ethyl 2-[(6-amino-2-methylsulfanyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;bis(ethyl 2-[(6-amino-2-methylsulfonyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);methane;tungsten;uranium;bis(vanadium)?
The IUPAC name of carbanide;ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;ethyl 2-[(6-amino-2-methylsulfanyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;bis(ethyl 2-[(6-amino-2-methylsulfonyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);methane;tungsten;uranium;bis(vanadium) (CID 159457023) is carbanide;ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;ethyl 2-[(6-amino-2-methylsulfanyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;bis(ethyl 2-[(6-amino-2-methylsulfonyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);methane;tungsten;uranium;bis(vanadium).
What is the SMILES notation for carbanide;ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;ethyl 2-[(6-amino-2-methylsulfanyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;bis(ethyl 2-[(6-amino-2-methylsulfonyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);methane;tungsten;uranium;bis(vanadium)?
The canonical SMILES for carbanide;ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;ethyl 2-[(6-amino-2-methylsulfanyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;bis(ethyl 2-[(6-amino-2-methylsulfonyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);methane;tungsten;uranium;bis(vanadium) is C.CCCCOc1nc(N)c([N+](=O)[O-])c(N(CC(=O)OCC)Cc2ccnc(N3CCOCC3)c2)n1.CCOC(=O)CN(Cc1ccnc(N2CCOCC2)c1)c1nc(S(C)(=O)=O)nc(N)c1[N+](=O)[O-].CCOC(=O)CN(Cc1ccnc(N2CCOCC2)c1)c1nc(S(C)(=O)=O)nc(N)c1[N+](=O)[O-].CCOC(=O)CN(Cc1ccnc(N2CCOCC2)c1)c1nc(SC)nc(N)c1[N+](=O)[O-].[CH3-].[CH3-].[CH3-].[CH3-].[U].[V].[V].[W].
What is the InChIKey of carbanide;ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;ethyl 2-[(6-amino-2-methylsulfanyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;bis(ethyl 2-[(6-amino-2-methylsulfonyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);methane;tungsten;uranium;bis(vanadium)?
The InChIKey is ZCNLALBEDAXDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7O6.2C19H25N7O7S.C19H25N7O5S.CH4.4CH3.U.2V.W/c1-3-5-10-35-22-25-20(23)19(29(31)32)21(26-22)28(15-18(30)34-4-2)14-16-6-7-24-17(13-16)27-8-11-33-12-9-27;2*1-3-33-15(27)12-25(11-13-4-5-21-14(10-13)24-6-8-32-9-7-24)18-16(26(28)29)17(20)22-19(23-18)34(2,30)31;1-3-31-15(27)12-25(18-16(26(28)29)17(20)22-19(23-18)32-2)11-13-4-5-21-14(10-13)24-6-8-30-9-7-24;;;;;;;;;/h6-7,13H,3-5,8-12,14-15H2,1-2H3,(H2,23,25,26);2*4-5,10H,3,6-9,11-12H2,1-2H3,(H2,20,22,23);4-5,10H,3,6-9,11-12H2,1-2H3,(H2,20,22,23);1H4;4*1H3;;;;/q;;;;;4*-1;;;;.
What are the key properties of carbanide;ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;ethyl 2-[(6-amino-2-methylsulfanyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;bis(ethyl 2-[(6-amino-2-methylsulfonyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);methane;tungsten;uranium;bis(vanadium)?
carbanide;ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;ethyl 2-[(6-amino-2-methylsulfanyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;bis(ethyl 2-[(6-amino-2-methylsulfonyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);methane;tungsten;uranium;bis(vanadium) has a molecular weight of 2544.03 g/mol, XLogP of 6.21, 39 rotatable bonds, 4 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;ethyl 2-[(6-amino-2-methylsulfanyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate;bis(ethyl 2-[(6-amino-2-methylsulfonyl-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);methane;tungsten;uranium;bis(vanadium) is sourced from PubChem (CID 159457023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).